1-[1-[5-chloro-2-(1-thiophen-3-ylethoxy)phenyl]ethenyl]imidazole

C17H15ClN2OS — CID 3007525

IUPAC1-[1-[5-chloro-2-(1-thiophen-3-ylethoxy)phenyl]ethenyl]imidazole
SMILESC=C(c1cc(Cl)ccc1OC(C)c1ccsc1)n1ccnc1
InChIInChI=1S/C17H15ClN2OS/c1-12(20-7-6-19-11-20)16-9-15(18)3-4-17(16)21-13(2)14-5-8-22-10-14/h3-11,13H,1H2,2H3
InChIKeyBKCFQJSFDAFXNM-UHFFFAOYSA-N
MW330.84 g/mol
LogP5.26
Rot. Bonds5

About 1-[1-[5-chloro-2-(1-thiophen-3-ylethoxy)phenyl]ethenyl]imidazole

1-[1-[5-chloro-2-(1-thiophen-3-ylethoxy)phenyl]ethenyl]imidazole (PubChem CID 3007525) has the molecular formula C17H15ClN2OS and a molecular weight of 330.84 g/mol. Its IUPAC name is 1-[1-[5-chloro-2-(1-thiophen-3-ylethoxy)phenyl]ethenyl]imidazole.

Molecular Properties

Compound Name1-[1-[5-chloro-2-(1-thiophen-3-ylethoxy)phenyl]ethenyl]imidazole
PubChem CID3007525
Molecular FormulaC17H15ClN2OS
Molecular Weight330.84 g/mol
Exact Mass330.06
IUPAC Name1-[1-[5-chloro-2-(1-thiophen-3-ylethoxy)phenyl]ethenyl]imidazole
SMILESC=C(c1cc(Cl)ccc1OC(C)c1ccsc1)n1ccnc1
InChIInChI=1S/C17H15ClN2OS/c1-12(20-7-6-19-11-20)16-9-15(18)3-4-17(16)21-13(2)14-5-8-22-10-14/h3-11,13H,1H2,2H3
InChIKeyBKCFQJSFDAFXNM-UHFFFAOYSA-N
XLogP5.26
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.84
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[1-[5-chloro-2-(1-thiophen-3-ylethoxy)phenyl]ethenyl]imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-[5-chloro-2-(1-thiophen-3-ylethoxy)phenyl]ethenyl]imidazole?
The IUPAC name of 1-[1-[5-chloro-2-(1-thiophen-3-ylethoxy)phenyl]ethenyl]imidazole (CID 3007525) is 1-[1-[5-chloro-2-(1-thiophen-3-ylethoxy)phenyl]ethenyl]imidazole.
What is the SMILES notation for 1-[1-[5-chloro-2-(1-thiophen-3-ylethoxy)phenyl]ethenyl]imidazole?
The canonical SMILES for 1-[1-[5-chloro-2-(1-thiophen-3-ylethoxy)phenyl]ethenyl]imidazole is C=C(c1cc(Cl)ccc1OC(C)c1ccsc1)n1ccnc1.
What is the InChIKey of 1-[1-[5-chloro-2-(1-thiophen-3-ylethoxy)phenyl]ethenyl]imidazole?
The InChIKey is BKCFQJSFDAFXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2OS/c1-12(20-7-6-19-11-20)16-9-15(18)3-4-17(16)21-13(2)14-5-8-22-10-14/h3-11,13H,1H2,2H3.
What are the key properties of 1-[1-[5-chloro-2-(1-thiophen-3-ylethoxy)phenyl]ethenyl]imidazole?
1-[1-[5-chloro-2-(1-thiophen-3-ylethoxy)phenyl]ethenyl]imidazole has a molecular weight of 330.84 g/mol, XLogP of 5.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[5-chloro-2-(1-thiophen-3-ylethoxy)phenyl]ethenyl]imidazole is sourced from PubChem (CID 3007525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).